<p>Displacements of CAs along each of the three top PCs are visualized on the right by plotting the coordinates of each PC. The SI and SII regions are annotated to show that they undergo some of the largest internal fluctuations captured by PC1 and PC2. The displacements along each PC are visualized on the left on an H-Ras structure using Pymol [<a href="http://www.ploscompbiol.org/article/info:doi/10.1371/journal.pcbi.1004470#pcbi.1004470.ref044" target="_blank">44</a>]. The colored sections correspond to the switch regions of H-Ras, with SI in green and SII in blue. Sections colored in light green show regions with structural changes of a similar magnitude to the switch regions.</p
Mutations M72ARas in SII (A) and V103ARas in α3 (D) significantly reduce the couplings between PL an...
(A) PCA (Principal Component Analysis) scatter plot of the simulated and experimentally determined c...
<p>Top panel: contact maps in water, against reference PDB structure (in black) for the IRF-3 and AC...
<p>Projections on the top two PCs are shown for all 86 collected structures of H-Ras. The 46 structu...
<p>(a) RMSD of subunits depicted schematically in <a href="http://www.ploscompbiol.org/article/info:...
<p>The energy landscape associated with functional conformations generated by SIfTER for WT H-Ras is...
<p>The two major conformations sampled are depicted by regions I, and II. (b) (<i>φ</i>,<i>l</i>) pl...
<p>Top panel: A representative conformation is drawn from each of the four basins obtained for the W...
(A-C) Projection of 121 Ras (A), 53 Gαt/i (B) and 23 EF-Tu (C) PDB structures (represented as square...
<p>Structured regions with higher fluctuations are highlighted in green and discussed in text. The l...
(A) The aligned native and mutant PAF structures can be seen after clustering the MD trajectories an...
<p><b>a)</b> Relative frequency of the angles between KGS and iMC average displacements for each C<s...
a. Distribution of the eigenvalues of the PCP matrix at a specific location in the protein T4Lys (bl...
PCA (backbone) score plots (heat map) of (A) GDP-bound and (B) and GTP-bound systems. Top-left boxes...
<p>(A) RMSF values calculated for each residue of the L33 (blue line) and the P33 (red line) forms o...
Mutations M72ARas in SII (A) and V103ARas in α3 (D) significantly reduce the couplings between PL an...
(A) PCA (Principal Component Analysis) scatter plot of the simulated and experimentally determined c...
<p>Top panel: contact maps in water, against reference PDB structure (in black) for the IRF-3 and AC...
<p>Projections on the top two PCs are shown for all 86 collected structures of H-Ras. The 46 structu...
<p>(a) RMSD of subunits depicted schematically in <a href="http://www.ploscompbiol.org/article/info:...
<p>The energy landscape associated with functional conformations generated by SIfTER for WT H-Ras is...
<p>The two major conformations sampled are depicted by regions I, and II. (b) (<i>φ</i>,<i>l</i>) pl...
<p>Top panel: A representative conformation is drawn from each of the four basins obtained for the W...
(A-C) Projection of 121 Ras (A), 53 Gαt/i (B) and 23 EF-Tu (C) PDB structures (represented as square...
<p>Structured regions with higher fluctuations are highlighted in green and discussed in text. The l...
(A) The aligned native and mutant PAF structures can be seen after clustering the MD trajectories an...
<p><b>a)</b> Relative frequency of the angles between KGS and iMC average displacements for each C<s...
a. Distribution of the eigenvalues of the PCP matrix at a specific location in the protein T4Lys (bl...
PCA (backbone) score plots (heat map) of (A) GDP-bound and (B) and GTP-bound systems. Top-left boxes...
<p>(A) RMSF values calculated for each residue of the L33 (blue line) and the P33 (red line) forms o...
Mutations M72ARas in SII (A) and V103ARas in α3 (D) significantly reduce the couplings between PL an...
(A) PCA (Principal Component Analysis) scatter plot of the simulated and experimentally determined c...
<p>Top panel: contact maps in water, against reference PDB structure (in black) for the IRF-3 and AC...